CID 3059894

3-o-demethylistamycin b sesquicarbonate

Structural Information

Molecular Formula
C16H33N5O5
SMILES
CNCC1CCC(C(O1)OC2C(CC(C(C2O)N(C)C(=O)CN)O)N)N
InChI
InChI=1S/C16H33N5O5/c1-20-7-8-3-4-9(18)16(25-8)26-15-10(19)5-11(22)13(14(15)24)21(2)12(23)6-17/h8-11,13-16,20,22,24H,3-7,17-19H2,1-2H3
InChIKey
LQMKMPQIPDFETG-UHFFFAOYSA-N
Compound name
2-amino-N-[4-amino-3-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

375.24817 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.25545 191.7
[M+Na]+ 398.23739 191.6
[M-H]- 374.24089 194.9
[M+NH4]+ 393.28199 199.4
[M+K]+ 414.21133 192.1
[M+H-H2O]+ 358.24543 182.9
[M+HCOO]- 420.24637 206.3
[M+CH3COO]- 434.26202 233.3
[M+Na-2H]- 396.22284 186.2
[M]+ 375.24762 183.0
[M]- 375.24872 183.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.